Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
TL;DR: Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate (CAS 669752-15-2) is a chemical compound with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
Also Known As: ChemDiv2_002063, BAS 07529312, ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate, ethyl 2-(benzo[d]oxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate, ethyl 2-(benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
| Molecular Formula | C20H16N4O3 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 4.2051 |
| Topological Polar Surface Area | 90.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.12225 |
| Heavy Atoms | 27 |
| Complexity | 1059.796 |
Chemical Identifiers
| CAS Number | 669752-15-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1C2=CC=CC=C2)NC3=NC4=CC=CC=C4O3 |
Product Overview
Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate (CAS 669752-15-2), with molecular formula C20H16N4O3 and molecular weight 360.12 g/mol. IUPAC: ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
Property Insights of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate
The XLogP value of 4.2051 indicates that Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate?
The CAS number of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate is 669752-15-2.
What is the molecular formula of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate?
The molecular formula of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate is C20H16N4O3.
What is the molecular weight of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate?
The molecular weight of Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate is 360.12 g/mol.
Where can I buy Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate?
You can request a quote for Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1,3-benzoxazol-2-ylamino)-4-phenylpyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.